Geometry & MOs

Info

ID:	85580
PubChem CID:	49877228
Reduced:	ClO2N3C29H31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	403.157716
ΔH_f, kcal/mol:	17.99
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-[(E)-2-phenylethenyl]-1-[(4-propoxyphenyl)methyl]benzimidazole;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCCCOC5=CC=CC=C5)C.[Cl-]

DOS

IR

Vibrations